howtowriteascientificpaper_pvrs

8/13/2019 HowToWriteAScientificPaper_PvRS

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How to write a scientific paper


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Find and read the literature. The problem may have been solved already!

1. Search CAS-on line; Web of Science; SCIFinder.

2. QCLDB (Quantum Chemistry Literature Database online

in CCQC as QCLDB99-through 2000, hard copy in Theochem)3. Check ECC,

4. Look for reviews, monographs, texts;

Follow up references in the literatures you find.Learn more about the area than you need to know.

If desirable, redefine the project based on the literature (consult with

mentor).

How best to undertake the project? Computational level?

Beginning Research (or any project)

Define and understand the problem. Even if suggested by yourmentor, the project is now your responsibility.


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React to Unexpected ResultsGood research is often not routine. Unanticipated

findings may be more interesting and importantthan the original project.

Explore such sidelines, but do not lose light of the

original objectives.

Consult with mentor.


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How to Organize a Scientific Talk

(also may apply to writing a paper)

Pick a good topic (or make a poor topic interesting.)

It is not sufficient merely to describe what you havedone.


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1. Introduction/Background/ContextYou are expected to be completely familiar not only with the

problem, but also its general context and experimental

techniques.* Read the literature thoroughly and broadly.

Be prepared to answer questions on any aspect of your

presentation not just the main theme.

A. Why was the problem undertaken? Historical and currentrelevance.

B. What is its significance?

C. What is known or has been done before? Be selective and

critical. Give credit to the intellectual pioneer as well as to thebest prior work.

D. How were the experimental data obtained? What are likely

sources and magnitudes of errors?


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II. Presentation of Results

a. The historical/detective novel approach, i.e. how the problem actually was

solved,seldom is best

b. Use a logical development based on your final perspective.

c. Do not give details of unproductive trials.

d. Compare your findings with analogies as well as earlier results.

e. Construct your talk to interest the audience. Avoid boring details.

Graphs are better than tables. (papers similarly)

f. Use good visual aids. ( But these should not distract. Many Power Point

Images are cluttered with decorations.

g. Use color effectively.


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What Will Reproduce Poorly?

1. At final reduction, this lettering is too small to be readable.

2. This line is too thin. At final reduction, this line may not show up at all.3. These symbols are too small. Different symbols of this size will look the same on

the printed page.

4. This lettering is too large when compared with that of point 1. All of the lettering

should be of similar size.

5. This line is too broad. Lines of this size will merge when reduced for publication.6. The patterns that simulate grays will appear blotched when printed.

A Call for Better Artwork from ACS

This figure will not reproduce well.The formatting choices here would

result in possible loss of critical

information or production delays.

The following are the highlights ofthe problems with this figure:


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What Will Reproduce Well?

1. Larger lettering is used.2. A thicker line of 1 point is used. This line is thick enough to be

effectively picked up by the scanner.

3. Larger symbols are used. Symbols and lettering are of similar size.

4. Smaller lettering is used.

5. A thinner line is used. This line will not easily merge with the other data.6. The shading is eliminated.

A figure like the one above will

reproduce well, especially if the

original is submitted at a size that

will fit the single-column format

(8.25 cm, 3.25 in.) without further

reduction. The following are the

highlights of changes made:

A Call for Better Artwork from ACS


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III. Conclusions What Was LearnedBy the end of the talk, the main scientific

contributions should be clear.

A. To the specificproblem.

B. To the general area; principles

C. Point out relationships, as broad as possible.

D. How this knowledge might be applied to

other problems, applications

E. Suggest ideas for further work.


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Membership in a professional society

Subscription to at least one scientific journal (Journals are available onthe web, but do you browse regularly, as you would with a hard copy

issue?)

Familiarity with literature not directly related to research.

Continually enlarging library with basis reference books, e.g. physical,

inorganic, theoretical, etc.

Attendance at seminars, scientific meetings; discussion with colleagues;

helpfulness. Presentation of research results.

Eagerness to publish findings.

Signatures of a Professional Attitude


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Scientific Facts of Life

ow many papers do you read every day?

a) Related to your project?

b) Unrelated to your project?

ow may chemistry papers are published every day?

hat is the number of citations of an average paper?


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The Goal Is Not Merely to Publish,

But to Publicize Your Work!Publish in the best (e.g. highest impact, more prestigious,

largest circulation journals).

Conceive and write your paper as generally as possible.

Use an intriguing title

Use attractive illustrations, visual materials.

Write well

Read as style guide first.

Use a dictionary, a thesaurus, a spell checker, and a

grammar program.


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ACS style guide

Writing StyleShort declarative sentences are easier to write and easier to read,

and they are usually clear. However, too many short sentencesin a row can sound abrupt or monotonous. It is easier to start

with simple declarative sentences and then combine some of

them than to start with long rambling sentences and then try to

shorten them.

By all means, write in your own personal style, but keep in

mind that scientific writing is not literary writing. Scientific

writing serves a completely different purpose from literary

writing, and it must therefore be much more precise. Some

specific hints follow.


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The Scientific Paper

The fact that such processes are under

strict stereoelectronic control is

demonstrated by our work in this area.

Avoid slang and jargon

Use strong verbs, they are essential to clear, concisewriting.

Use the active voice whenever possible. It is usually less

wordy and is unambiguous.

Our work in this area demonstrates that

such processes are under strictsteroelectronic control.


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Be brief. Wordiness adds nothing but confusion, and the

resulting paper loses the readers interest.

First person is acceptable when the meaning is clear.

Jones reported xyz, but we found.

Our recent work demonstrated ..

For these reasons, we began a study of

However, avoid phrases like we believe, we feel, we

concluded, etc.


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Where to Publish ?

- Selection of a Journal

How the paper is written depends on the journal, the intended

audiences, and the goal of your presentation.

Do you wish a more chemical or a more physical orientation?

Are you aiming at specialists or the more general scientific

community?

Choose the most appropriate journals with the highest impact

(average citations per paper), prestige, and the largest circulation.

Cost-free color publication is a consideration.


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On-line availability has changed journal access almost

completely. Private substriptions (even in CCC) aredisappearing.

Society journals [ACS, J. Chem. Phys. (Am. Inst. Phys.)]

have larger circulations and are less expensive.

New European Journals: Chem. Eur. J.; ChemPhysChem.;

ChemPhysPhysChem.;

Private publisher (Wiley, Elsevier, etc.) journals:

(expensive (e.g. CPL $ 579); lower circulations (individual

rates, eg. JCC $ 2080). Color not free.

Journals by Publishers


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Journal Reviewwidest circulation, but little chemistry, consider for

the very best papers.

High impact-general chemical journal, large

circulation. But broad coverage decreases the

number of papers of interest to Fritz and to me.

Highest reputation, but requires page charges. Not

generally read by chemists.

High impact. Two languages. Communications andreviews, but no full papers.

Full papers and now competes with JACS

in impact.

Science

Nature

JACS

J. Chem. Phys.

Angew Chem

Chem. Euro. J


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Theoretical/computational/physical. High

impact, but specialized with low (


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Organometallics

J. Org. Chem.

Org. Lett.

Chem. Rev

Acc. Chem. Res.

Chem.Soc. Rev.

ChemPhysChem

New J. Chem.

Chem. Comm.

Affordable, higher quality than JOMC,

Now an excellent review journal


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The Technical Parts of a Paper(unimportant, except that much human effort is involved!)

Follow journal style; use template

Reference style for all ACS Journals:

Papers: (1) People, J. A.; Hehre, W.J. Am. Chem. Soc.,

1977, 99, 9900-9909.

Books: (2) Sandstrom, J.Dynamic NMR Spectroscopy;

Academic Press, New York, 1982, p. 331-333.

Give first and last page of papers


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References style for J. Chem. Phys.:

1 J. A. People, W. J. Hehre,J. Am. Chem. Soc., 99,

9900 (1977).2 J. Sandstrom,Dynamic NMR Spectroscopy

(Academic Press, New York, 1982), p. 331.

Note punctuation and abbreviation used.

CAS Source Index (e.g. Not JACS, or J. Amer.

Chem. Soc., butJ. Am. Chem. Soc.)


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Guidelines from ACS


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Any author who is not fully fluent in idiomatic English is

urged to obtain assistance with manuscript preparation from a

fluent colleague. Manuscripts with grammar or vocabulary

deficiencies are handicapped during the scientific review process andmay be returned to the author before peer review and/or before

acceptance for rewriting in idiomatic English.

Title. The title should accurately, clearly, and concisely reflectthe emphasis and content of the paper. The title must be brief

and grammatically correct. Series numbers should not be used.

Abstract. All manuscripts (Communications and Articles)must contain an abstract, which should briefly state the reason

for the work, the significant results, and the conclusions.

Abstracts for Communications will not appear in the print

edition but will be available in html format in the Web edition.


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Illustrations must fit a one- or two-column format on

the Journal page: For efficient use of Journal space,

single column illustrations are preferred.

Remove all color from graphics, except those graphicsto be considered for publication in color.

Graphics and Illustrations


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Computations. When computational results are an essential part of amanuscript, sufficient detail must be given, either within the paper or in

Supporting Information, to enable readers to reproduce the calculations.

This includes, e.g., force field parameters and equations defining the

model or references to where such material is available in the openliterature. Authors who report the results of electronic structure

calculations are requested to provide as Supporting Information the

geometries (either as Cartesian coordinates orZ matrices) of all the

stationary points whose relative energies are given in the manuscript. Theabsolute energies in hartrees that are computed at these geometries should

not be given in the manuscript but should be provided as Supporting

Information. For Web submissions, the atomic coordinate data should be

furnished separately from other data as a text-only (plain ASCII witha .txt extension) file, so that reviewers and readers can use the

coordinates as input to other programs. Where applicable, the number of

imaginary frequencies should be reported to identify stable structures and

transition states.


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General Considerations.

Authors should present their materials with the utmost

conciseness consistent with clarity. Articles should be

written in a style that addresses a wider audience than for

papers prepared for more specialized journals. Manuscriptsthat exceed the norm of 8-10 Journal pages for Articles often

contain a level of detail that is not appropriate for a broad

audience. Overlong manuscripts may be returned to the

authors for shortening.


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k

Importance of Proof Correction


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This abstract is almost useless. It doesnt say which

formulation is better and is too wordy.


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My edited version

Results with the B3LYP calculations are not consistent, dueto different implementations of the VWN local correlation

term. Either of the two formulations can give more accurate

results, depending on the application.


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A Quick Test of Your

Proof-Reading AccuracyThere are no tricks in this test.

Read the sentence below only once, counting the number of Fs.

Count them only once (as you would if you were proofreading).

Be honest. Do not go back and count them again or the test willbe no fun.


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FINISHED FILES ARE THE RESULT OF

YEARS OF SCIENTIFIC STUDY

COMBINED WITH THE EXPERIENCEOF YEARS.


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Answer

There are six Fs in the sentence !

GRADES

If you found three, you are of average intelligence.

If you found four, you are above average.

If you found five, you can turn your nose at most

anybody.

If you found six, you are a genius.


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Partial Explanation

There is no catch. Many people forget the OFs.

The human brain tends to see them as Vs and notFs. Pretty weird, huh?


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Proofreading is similar. Unimportant details tend

to be overlooked.

MORAL

Exmaple : Inetrsteinig

Aoccdrnig to a rscheearch at Cmabrigde Uinervtisy,

it deosn't mttaer in waht oredr the ltteers in a wrod

are, the olny iprmoetnt tihng is taht the frist and lsat

ltteer be at the rghit pclae. The rset can be a totalmses and you can sitll raed it wouthit porbelm. Tihs is

bcuseae the huamn mnid deos not raed ervey lteter by

istlef, but the wrod as a wlohe.


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Abstract

The electronic structures of the first-row transition-metal metallocenes, MCp2 (M = V, Cr, Mn, Fe, Co, andNi), have been studied using a broad range of d. functional methods with flexible double-zplus polarization

(DZP) basis sets. Geometrical parameters of the D5h and D5d conformations (and structures of lower

symmetry for CrCp2 and CoCp2) were fully optimized. For the ferrocene system, best characterized

experimentally, the B3LYP, BLYP, and BP86 methods give structures in good agreement with experiments.

For theD5h-D5d energy difference, the same three methods predict 0.75 kcal/mol (B3LYP), 0.99 kcal/mol

(BLYP), and 1.13 kcal/mol (BP86). The cyclopentadienyl rings are very nearly planar; the angles of the C-Hbond out of the Cp ring are less than 1 for all metallocenes except ferrocene. The C-H bonds are bentslightly away from the metal for V and Mn, slightly toward the metal for Fe and Ni, and virtually not at all

from chromocene. According to the energetic and vibrational analyses, theD5h conformations are the global

min., leaving open the possibility that theD5d conformations may exist under certain conditions. However,

MnCp2probably exists as a mixture of bothD5h andD5d conformations, because both are genuine min. withonly a small energy difference. The predicted B3LYP energy differences (D5h-D5d) for the six metallocenes are

0.29 (V), 0.28 (Cr), 0.13 (Mn), 0.75 (Fe), 0.38 (Co), and 0.23 kcal/mol (Ni). A number of reassignments of

experimental vibrational bands are suggested. The MO energy level diagrams and the electron configurations

for the metallocenes are compared. This information, obtained in a consistent manner across the first transition

metal series, is helpful for discussion of the bonding characters and the chem. reactivities of these

metallocenes.

Systematic Investigation of Electronic and Molecular Structures for the First Transition Metal

Series Metallocenes M(C5H5)2 (M = V, Cr, Mn, Fe, Co, and Ni).

Zhen-Feng, Xu,1,2 Yaoming Xie,1 Wen-Lin Feng,2 Henry F. Schaefer III1

1 Center for computational Quantum Chemistry, University of Georgia, Athens, GA, USA.2Department of Applied Chemistry, Beijing University of Chemical Technology, Beijing 100029, P. R. China

J. Phys. Chem. A 2003, 107, 2716


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The Most Important Parts

of a Scientific PaperThe quality and originality of the science!

PRESENT YOUR CONTRIBUTIONMOST EFFECTIVELY

TITLE - Summarize what is in the paper. Captureattention! DIFFICULT. Try many versions.

AUTHORSGenerally in order of the importanceof the contributions. The first author wrote the paper;

* only means the correspondence author.

Who to include? Generosity will be rewarded.


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ABSTRACT Include as much detailsas possible. Will appear in Chem. Abstracts.

Do NOT use a vague, uninformative style, e.g.,

Computations on the isomers of CH5+ werecarried out ab initio. Attention was paid to the

question of the relative energies of the C2v and the

Csforms.

Ab initio (QCISD(T)/6-311+G**// MP2(FULL)/6-

31G**+ZPE) computations indicated the C2v andthe two Cs isomers of CH5+ to have nearly the same

energy


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FIRST SENTENCEThe most important!Must be well-written and informative. Like the Title,

should state what is in the paper. Try many versions.Capture the readers interest! Be original!

Too many papers begin with something like:

In recent years .. has received great attention

There has been great interest in .

DO NOT WRITE

LIKE THIS !


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INTRODUCTIONConcise statement of the

purpose of the paper and the relevant background.Must be well, and critically referenced.

Pople states the problems specifically;

The questions we wish to answer in this paper are:

(1) Is there a man on the moon?

(2) If so, what does he eat for breakfast?


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METHODFor a computational paper, Poples book

and Gaussian 98 ( or 03) manual can be cited for thestandard methods used in Gaussian. But many referees

demand details we take for granted (e.g. what the

notation means)


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RESULTS AND DISCUSSIONUse attractive

compound formulas, figures, short tables, schemes, etc.to break the monotony of printed pages. All such illustrative

material MUST be self-explanatory (adequate captions,

footnotes, etc). Readers do NOT want to refer to the text!

Facilitate informative scanning.


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CONCLUSIONShouldNOTbe another

abstract, but Pople-type questions may be answered.Give major findings, implications.

Our hybrid density-functional computations confirm that

there is a man named Henry F. Schaefer III living on the

moon, who survives by drinking German beer rocketed byPaul Schleyer from Erlangen.


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Guides to Writing Theoretical Papers

B3LYP/6-31G* or B3LYP/6-311+G** is now the entry level for

geometries and frequencies (where possible)

Discuss only the best (highest level) results in the text.

Avoid writing details like: In going from the HF/6-31G* to the

MP2(FULL)/6-31G* level, the CB bond distance lengthens by

0.013 A; the relative energy also improves, but only slightly (0.25

kcal/mol).

Such trivial comparisons are boring to read and are insignificant.


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Restrict the text to essential, important information ofgeneral interest. Keep the text as short as possible. The

expert can interpret the fine details himself.

Instead, present energies, geometries, populations, etc.

In Tables, Graphs, and Figures.


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Graphs and small Tables bring out comparisons and

variations most effectively. Important data should notbe hidden in large Tables. Figures are best for geometries.

Give more attention to comparisons with related systems,

topics, molecules, properties, etc. from the literature.Broad concerns and generalizations are more important

than specialized discussions. State how your findings

contribute to chemical knowledge.

Bad Introduction


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Bad Introduction


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In his bookA Step to Man, John Platt1 suggests that certain fields of

science such as biotechnology and organic chemistry have made rapid

progress by virtue of practicing a particular version of the scientificmethod which he dubs "strong inference". The recipe for strong

inference is the postulation of multiple hypotheses followed by critical

experiments designed to test each with the elimination of those which

do not meet the test. The process is to be iterated until a satisfactorysolution is found. Mechanistic organic chemistry is replete with

examples of the application of the strong inference mode of thinking.

However, there are cases where the best of efforts have failed to

produce a complete story. Such cases often become submerged inhistory, assume the attributes of solved problems, and disappear from

textbooks and reviews. Such is the case for the formation of isobornyl

chloride by the rearrangement of camphene hydrochloride.

PLEASE DO NOT

DO THIS !

H G d O


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Here a Good One


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Example of a pageyou do not want to read


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I must peruse several manuscripts every day, from you,

private communications, as JCC Editor, and as reviewer.

And what about all the new journals!

I know this paper needs rewriting, but I just want you

to react to the science

Unfortunately, this is not possible for me. Better manuscripts

get faster attention from me at least you have an opportunity

to improve your English (and your English style).

Tables, Figures, and other summaries of results you give me

should include complete information, eg. Theoretical level,

point group, etc. At the time the context may be clear, buta year later the summary is useless without full information.

An Apology from PvRS


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Omit needless words. Make every word count!

Example a good advertising slogan:

Burpees seeds grow

Three words state what the product is, who

makes it, and the (claimed) advantages.

Emulate one of Schaefers masterful titles,Is Dodecahedral P20 Special?

Writing Concisely


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Delete phrases which do not contribute

to the meaning of a sentence.

It is apparent from the foregoing that

In particular, it should be noted that .

, or just Note that

We will now discuss

Owing to the fact that Since


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Avoid Wordiness Delete

Unnecessary Words

Original: We plan additional studies in the future

in order to confirm previous experiments wherereplicate determinations consistently showed the pool

sizes to essentially increase.

Improved. We plan studies to confirm experiments

where replicate determinations showed an increase in

pool size.

Better We plan to confirm the experiments showing an

increase in pool size.


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It has been reported(ref.) that hydroxyurea

selectively decreases purinedeoxynucleotide pools.

Hydroxyurea was reported(ref.) to

decrease purine deoxynucleotide pools

selectively.

Hydroxyurea decreases purine deoxynucleotidepools selectively.(ref.)

Another Example

Original:

Improved:

Better:


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Verb Tense

1. Use the present tense to describe experiments and

data that have been established and exist in theliterature, e.g.

Compound 6 is degraded by guanosine hydrolase

inefficiently(ref.). [this is always true]

2. Use the past tense to describe experiments and data

you have found, e.g.

Compound 6 was degraded inefficiently degraded

by guanosine hydrolase (ref.). [your result]


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Writing a Scientific Paper

Highlights for success

Thomas Spector,Journal of Chemical Education, 1994, 71, 47

Use succinct sentences

Well-constructed sentences are succinct. They are

easy to read and to understand. Succinct sentencesunambiguously relay content and meaning.


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Use a tangible noun as subject of the sentence

(A tangible noun represents somethingthat is touchable or concrete)

1.Original: In the rat, the metabolism of yeast ischaracterized by the formation of polar compounds.

Succinct:: Rats metabolize yeast to polar compounds.

2. Original: Another issue that concerns the authorsfocuses on the interpretation of the ab initio data.

Succinct: The authors also interpret their ab initio data.


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3. Original: The modification of the method of

Smith (ref.) led to the generation of acceptable data.

Succinct: Acceptable data were generated by modifying

the method of Smith (ref).

Or A modification of Smiths method (ref) generated

acceptable data.

4. Original: Elevation of intracellular ATP was observed

following administration of compound Q.

Succinct: Intracellular ATP was elevated followingadministration of compound Q.

Or: Compound Q elevated intracellular ATP upon

administration.


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Correct grammar, spelling, obvious errors

(use WP speller to check)

Many mistakes in references, authors names are common correct!

Absolute scientific accuracy is required check

data in tables, etc.

Improve clarity ask opinion of others

Avoid repetition. Do not use the same word more than once (except for

intentional emphasis) in the same paragraph ( use Thesaurus in WP to

find synonyms)

Recast sentences use direct style, simple words

Reread What You Have Written

Critically


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a indefinite A chemical was used

the definite the chemical was used(which one?)

Do NOT use works, received, predict, extract,

eg. in these theoretical works (papers)We received computational results ; use obtained,

received implies that someone sent them

Some Common Problems


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English prepositions are a problem, but are easy for me to edit!

it , etc one of the worst problem for clarity, e.g.

The CC bond angle in acetone is larger than that in propane. It

is 112.4o. What is it?

Much better to write The 116.5o

CC bond angle in acetone islarger than that in propane 112.4o)


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DATA is plural.

H. F. Schaefer, IIIs pet peeve:

Use computations for operations carried out on a

computer; calculationsare done on a hand calculator.


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In current scientific literature, the word predict is often used

rather curiously as a synonym for explain or rationalizerather than for foretell, tell beforehand, prophecy, as favored

by dictionaries. It is impossible to predict something when

that fact is known beforehand. An aphorism, original source

unknown, stresses this point: Predictions are risky, especiallyif they deal with the future. True quantitative predictions, in

organic chemistry at least, are quite rare.

Gleicher and Schleyer, JACS 1967, 89, 582, footnote 68.

Real Predictions PvRSs Pet Peeve


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Dear John,

I want a man to know what love is all about. You are generous,

kind, thoughtful. People who are not like you admit to being

useless and inferior. You have ruined me for other men. I yearn for

you. I have no feelings whatsoever when were apart. I can beforever happy- will you let me be yours?

Gloria

The Importance of Punctuation


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Dear John,

I want a man who knows what love is. All about you are generous,

kind, thoughtful people, who are not like you. Admit to beinguseless and inferior. You have ruined me. For other men, I yearn.

For you, I have no feelings whatsoever. When were apart, I can be

forever happy. Will you let me be?

Yours,

Gloria

How to Reference


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How to Reference

Usually very poorly done!

Review the literature completely, check

CAS onlineQCLDB (2000 now installed, 2001 free on web)

Web of Science

SCIFinder

Textbooks read but do not citeMonographs may be very important e.g. Hehre, Radom,

Schleyer and People as standard ref. For Gaussian methods.

Reviews but always read original references!

Do not depend on the reviewers summary.


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- Primary literatureUSE JUDGEMENT IN

SELECTION

Who first lad the basic idea?Who did the most important work before ?

Who else contributed significantly?

Cite, but do not depend only on reviews.

Give credit to originators.

SEEK RELATIONSHIPS!

What is the general relevance of your work?

How does it further chemical knowledge?

Go beyond, far beyond what you have found!

E li h A ti l f R i ( d th )


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The title refers not to scientific papers in English, but to the parts of speech: a and

the. My Russian visitors in particular have fits trying to master these little words,

and have much trouble in getting them right. Understandably so, since definite and

indefinite articles do not exist in the Russian language. There are five variations tocontend with in German: der, die, das, ein, eine. One has to remember that a spoon is

he, a fork she, and a knife it. Referring to wine, German will say (in literal

translation), He tastes good. At least English has gotten rid of sexes. The Germans

did start to simplify their language; there are only two indefinite articles, ein and

eine. The English language evolved further as we only have a (an before a

vowel). Pronounced the English way, the sound like die and the parallels

between the two languages do not end there. Germans seldom have difficulties in

using English articles, but there is an exception. The simplification of the English

language went further, and in many constructions no article is needed at all: Onewould say Die Chemie ist eine noble Wissenschaft, but the definite article in the

English sentence sounds stupid. The Chemistry is a noble science.

To summarize, one is faced with three choices in using English: a, the or no article atall.

English Articles for Russians ( and others)


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The rules of English usage are generally only

approximate, but the following set may be helpful. The

first rule is strict, and is the simplest to understand.

Rule 1

The indefinite article a, like ein is always singular.

Thus, a scientist is fine, but a scientists is not.

One can say, a team of scientists, instead.


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Rule 2

A really is indefinite. Use a when you can not or do not

wish to be specific. For example, The runs were done on a

PC. This implies either that you do not know which specific

PC was used (eg. of many networked together ) or that it

does not matter which one actually ran the job. This is themore suitable form for a scientific paper, but expressed more

pompously, eg. the computations were carried out on a PC.

Rule 3


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Rule 3

The can be singular or plural, but it must be definite. Thus,the scientist, the scientists, or the team of scientist are

all fine. But the requires you to be definite, you must

make sure that the reader knows which one is meant. To

write, the runs were done on the PC leaves the readerhanging. You have to specify which PC, eg. the runs were

done on the PC in my office (or, more simply, on my PC).

To summarize, whenever, the is used, a definite context

must be clear. There may only be one possibility, eg. theuniversity, but if there are more than one, specification is

necessary. However, also consider leaving out the article

completely. This gets us the next rule, which is not simple to

carry out.

R l 4


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Rule 4

Omit the article when it is not needed. To decide, try the

sentence with and then without the article. A few examples

may help. My Russian visitors might write, The ethanol was

used as solvent. Since there is only one ethanol, omit thethe. Do not write, We studied the compound 1; leave out

the. But We studied 1, suffices.

General, unspecified nouns often require no article, eg. themixture was separated by chromatography. In, The mixture

was separated by the chromatography. chromatography

already is indefinite and the a should not be included. Themixture was separated by the chromatography sounds peculiar

and requires specification. What method was used? The

simplest would be, The mixture was separated by gas

chromatography. This is now definite, but again there is noarticle.


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Rule5

The definite article may be used for emphasis, eg., The

ethanol in the sample you gave me was contaminated. Notethat both thes refer to specified nouns. Not all ethanol

samples are contaminated. (But, your ethanol sample was

contaminated, would be better wording.)

Consider: NMR spectra were determined.

vs The NMR spectra were determined.

The latter requires specification (what spectra actually were

measure?), but calls more attention to what was done.


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Rule 6

Sentences starting with a noun need an article in thesingular, but not always in the plural: The computation

revealed and Computations revealed are fine.


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Thi Di i i d i


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This Dissertation is composed in

a style which an American, even though he has lived in Germanyfor fifteen years and has become familiar with the convoluted

grammatical constructions, which in the last century were greatly

admired when used by true poets and are still quite often

encountered here and also as a boy on the other side of theAtlantic whose mother taught both English and German in high

school loved to read among others James Fenimore Cooper (the

ante-bellum American author whose Indians and early frontier

heroes must have been a model for Winnetou) who was noted forsentences full of descriptions with consumed whole paragraphs if

not whole papges, finds unnecessarily hard to understand and

inappropriate for clear scientific writing which should convey- in

any language information as directly and simply as possible.

Who can understand such writing? The science equivalent is even

worse!


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Schaefers adviceThe first paragraph should be about

chemistry, not about what you have done(e.g, recently we have systematicallystudied )

Cite at least 50 papers in the referencesBut do not cite your own (or CCC) papers toofrequently (not more than five)

howtowriteascientificpaper_pvrs

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